methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-fluorophenyl)sulfonyl-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-fluorophenyl)sulfonyl-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H21FN2O4S2 MolecularWeight: 400.488043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN2O4S2/c1-12(2)8-9-20(10-16-19-15(11-25-16)17(21)24-3)26(22,23)14-6-4-13(18)5-7-14/h4-7,11-12H,8-10H2,1-3H3